Home Sulfos 2-(2-difluoromethanesulfonylphenyl)acetic acid

2-(2-difluoromethanesulfonylphenyl)acetic acid

CAS No.:
1564734-44-6
Catalog Number:
AG01C20P
Molecular Formula:
C9H8F2O4S
Molecular Weight:
250.2192
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Product Description
Catalog Number:
AG01C20P
Chemical Name:
2-(2-difluoromethanesulfonylphenyl)acetic acid
CAS Number:
1564734-44-6
Molecular Formula:
C9H8F2O4S
Molecular Weight:
250.2192
MDL Number:
MFCD26500098
IUPAC Name:
2-[2-(difluoromethylsulfonyl)phenyl]acetic acid
InChI:
InChI=1S/C9H8F2O4S/c10-9(11)16(14,15)7-4-2-1-3-6(7)5-8(12)13/h1-4,9H,5H2,(H,12,13)
InChI Key:
UCWUCWSQVMGESD-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccccc1S(=O)(=O)C(F)F
Properties
Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.011g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.216g/mol
Monoisotopic Mass:
250.011g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties